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Remove PyQuante2 from CI and optionals #1227

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Sep 4, 2023
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14 changes: 1 addition & 13 deletions .github/workflows/main.yml
Original file line number Diff line number Diff line change
Expand Up @@ -185,13 +185,6 @@ jobs:
os: ${{ matrix.os }}
python-version: ${{ matrix.python-version }}
if: ${{ matrix.python-version != '3.11' && (matrix.os != 'windows-2019' || (matrix.os == 'windows-2019' && matrix.python-version != '3.11')) }}
- name: Install PyQuante2
run: |
source "$CONDA/etc/profile.d/conda.sh"
conda activate psi4env
conda install -y pyquante2_pure -c rpmuller
shell: bash
if: ${{ matrix.python-version != '3.11' }}
- uses: ./.github/actions/install-main-dependencies
with:
os: ${{ matrix.os }}
Expand Down Expand Up @@ -257,7 +250,7 @@ jobs:
with:
name: ${{ matrix.os }}-${{ matrix.python-version }}
path: ./ci-artifact-data/*
- name: Nature Unit Tests without matplotlib/pyscf/psi4/pyquante2/sparse/opt_einsum under Python ${{ matrix.python-version }}
- name: Nature Unit Tests without matplotlib/pyscf/psi4/sparse/opt_einsum under Python ${{ matrix.python-version }}
env:
PYTHONWARNINGS: default
run: |
Expand All @@ -268,11 +261,6 @@ jobs:
echo 'Uninstall psi4'
conda remove -y --force psi4
fi
echo 'Uninstall pyquante2'
if [[ "${{ matrix.python-version }}" != "3.11" ]]; then
conda remove -y --force pyquante2_pure
fi
pip uninstall -y pyquante2
if [ "${{ github.event_name }}" == "schedule" ] || [ "${{ contains(github.event.pull_request.labels.*.name, 'run_slow') }}" == "true" ]; then
export QISKIT_TESTS="run_slow"
fi
Expand Down
8 changes: 1 addition & 7 deletions qiskit_nature/optionals.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# This code is part of Qiskit.
#
# (C) Copyright IBM 2022.
# (C) Copyright IBM 2022, 2023.
#
# This code is licensed under the Apache License, Version 2.0. You may
# obtain a copy of this license in the LICENSE.txt file in the root directory
Expand Down Expand Up @@ -53,12 +53,6 @@ def _is_available(self):
return super()._is_available() if self._run else True


HAS_PYQUANTE2 = LazyImportTester(
"pyquante2",
name="pyquante2",
msg="See https://github.com/rpmuller/pyquante2",
)

HAS_PYSCF = LazyImportTester(
"pyscf",
name="pyscf",
Expand Down